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Electronic structure of organic semiconductors : polymers and small molecules /
Written from the perspective of an experimental chemist, this book puts together some fundamentals from chemistry, solid state physics and quantum chemistry, to help with understanding and predicting the electronic and optical properties of organic semiconductors, both polymers and small molecules....
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
San Rafael [California] (40 Oak Drive, San Rafael, CA, 94903, USA) :
Morgan & Claypool Publishers,
[2018]
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| Colección: | IOP (Series). Release 5.
IOP concise physics. |
| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- 1. Introduction
- 2. Some basic concepts in solid state physics
- 2.1. Drude model
- 2.2. Sommerfeld model
- 3. From orbitals to bands
- 3.1. Orbitals in a chain of atoms
- 3.2. Importance of the crystal structures
- 3.3. Covalent solids : the series C, Si, Ge
- 4. Band theory
- 4.1. Electrons in a periodic potential : Bloch theorem
- 4.2. Energy bands from linear combinations of orbitals
- 4.3. Energy bands in a one-dimensional crystal
- 4.4. Consequences of the band structure in semiconductors
- 5. Orbitals and bands in organic semiconductors
- 5.1. Energy bands in conjugated polymers
- 5.2. Electronic structure of small molecule organic semiconductors
- 6. Computational methods
- 6.1. Hartree-Fock theory
- 6.2. Density functional theory (DFT)
- 6.3. Molecular orbitals calculated by DFT
- 6.4. Energy bands calculated by DFT
- 7. Topological defects and excitons
- 7.1. Topological defects : solitons and polarons
- 7.2. Electron-hole interactions : excitons
- 8. Transport and optical properties
- 8.1. Transport properties
- 8.2. Optical properties
- 9. Case study : PEDOT:PSS
- 9.1. Introduction
- 9.2. Electronic structure
- 9.3. Electronic and optical properties
- 9.4. Approaches to improve the electrical conductivity
- 9.5. Applications.